LAMMPS (24 Mar 2022)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
# DPD Fluid

variable T    equal 1.0
variable rc   equal 1.0
variable rcD  equal 1.2

units        lj
boundary     p p p
atom_style   atomic
dimension    3
newton       on
comm_modify  vel yes

### create box and configuration
variable     L equal 5.0
lattice      fcc 3.0
Lattice spacing in x,y,z = 1.1006424 1.1006424 1.1006424
region       simBox block 0 ${L} 0 ${L} 0 ${L}
region       simBox block 0 5 0 ${L} 0 ${L}
region       simBox block 0 5 0 5 0 ${L}
region       simBox block 0 5 0 5 0 5
create_box   2 simBox
Created orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121)
  1 by 2 by 2 MPI processor grid
#create_atoms 1 region simBox
create_atoms 1 random 100 12456 simBox
Created 100 atoms
  using lattice units in orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121)
  create_atoms CPU = 0.000 seconds
create_atoms 2 random 100 13245 simBox
Created 100 atoms
  using lattice units in orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121)
  create_atoms CPU = 0.000 seconds
mass         1 1.0
mass         2 2.0
###

pair_style       dpd ${T} ${rc} 3854262
pair_style       dpd 1 ${rc} 3854262
pair_style       dpd 1 1 3854262

pair_coeff   1 1 25.0 4.5  1.2
pair_coeff   1 2 25.1 4.51 1.21
pair_coeff   2 2 25.2 4.52 1.22

timestep     0.01
run_style    verlet

velocity all create ${T} 68768932
velocity all create 1 68768932

thermo_style custom step time temp press
thermo       100

fix 1 all    nve

run          5000
  generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 1.52
  ghost atom cutoff = 1.52
  binsize = 0.76, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair dpd, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.064 | 3.064 | 3.064 Mbytes
   Step          Time           Temp          Press     
         0   0              1              8.603339     
       100   1              1.8691059      8.9058297    
       200   2              1.4500635      8.7420141    
       300   3              1.3089453      8.3985981    
       400   4              1.1647803      8.2948808    
       500   5              1.1399445      7.7421817    
       600   6              1.0297918      7.2040397    
       700   7              1.046713       7.6115758    
       800   8              0.93523712     7.6885563    
       900   9              0.94701493     7.9662712    
      1000   10             0.99302416     7.7606189    
      1100   11             0.98975674     7.5207427    
      1200   12             0.98661662     7.3565222    
      1300   13             1.0289377      7.6110453    
      1400   14             0.9982501      7.8065701    
      1500   15             1.0043888      7.3957185    
      1600   16             1.0175816      7.7885955    
      1700   17             1.0252117      7.5076258    
      1800   18             1.0275139      8.1052823    
      1900   19             1.0021054      7.0385989    
      2000   20             1.0489009      7.7138149    
      2100   21             0.91250488     7.3540839    
      2200   22             0.92470996     7.9600233    
      2300   23             0.96932725     7.3106045    
      2400   24             0.93443088     7.4594635    
      2500   25             0.95596038     7.2544715    
      2600   26             1.0368594      7.6229263    
      2700   27             0.94639332     7.4869636    
      2800   28             0.99917354     7.9806636    
      2900   29             0.95048071     7.0086404    
      3000   30             0.95226181     7.7807205    
      3100   31             0.95864429     7.8059442    
      3200   32             0.85678761     7.3416027    
      3300   33             0.95951096     7.3467158    
      3400   34             0.97665772     8.2900991    
      3500   35             0.92885927     7.5385993    
      3600   36             1.0455015      8.0627999    
      3700   37             0.91911809     8.0371736    
      3800   38             0.92022241     7.5803999    
      3900   39             1.0465522      7.6920189    
      4000   40             0.98568475     7.4529825    
      4100   41             1.0389372      7.2273346    
      4200   42             1.0257545      7.6081878    
      4300   43             1.0937573      8.2158237    
      4400   44             1.0908817      7.5021567    
      4500   45             1.0482874      7.5924368    
      4600   46             1.1468439      8.0285157    
      4700   47             1.119683       8.3365123    
      4800   48             1.0963877      7.51772      
      4900   49             1.0766762      7.3137035    
      5000   50             1.0359203      7.7354572    
Loop time of 0.148597 on 4 procs for 5000 steps with 200 atoms

Performance: 29071936.422 tau/day, 33648.075 timesteps/s
98.8% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.059602   | 0.063397   | 0.068622   |   1.3 | 42.66
Neigh   | 0.017747   | 0.018193   | 0.018698   |   0.3 | 12.24
Comm    | 0.055145   | 0.061014   | 0.065369   |   1.5 | 41.06
Output  | 0.00042708 | 0.00050725 | 0.00071024 |   0.0 |  0.34
Modify  | 0.0023494  | 0.002532   | 0.0026434  |   0.2 |  1.70
Other   |            | 0.002953   |            |       |  1.99

Nlocal:             50 ave          52 max          48 min
Histogram: 1 0 1 0 0 0 0 1 0 1
Nghost:         292.75 ave         299 max         287 min
Histogram: 1 0 1 0 0 0 1 0 0 1
Neighs:          413.5 ave         441 max         399 min
Histogram: 2 0 0 1 0 0 0 0 0 1

Total # of neighbors = 1654
Ave neighs/atom = 8.27
Neighbor list builds = 500
Dangerous builds = 500

Total wall time: 0:00:00
